CID 317080

2-(3-chlorophenyl)-6-methyl-4h-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C15H10ClNO2
SMILES
CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H10ClNO2/c1-9-5-6-13-12(7-9)15(18)19-14(17-13)10-3-2-4-11(16)8-10/h2-8H,1H3
InChIKey
PIWAGCRVYCUFQK-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-6-methyl-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

271.04 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04728 157.3
[M+Na]+ 294.02922 169.8
[M-H]- 270.03272 165.1
[M+NH4]+ 289.07382 173.4
[M+K]+ 310.00316 164.8
[M+H-H2O]+ 254.03726 149.6
[M+HCOO]- 316.03820 174.8
[M+CH3COO]- 330.05385 170.9
[M+Na-2H]- 292.01467 165.2
[M]+ 271.03945 162.5
[M]- 271.04055 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe